Summary of SITH analysis
Redundant Internal Coordinate Definitions
**Defined by indices of involved atoms**
1           (1, 2)
2           (1, 3)
3           (1, 4)
4           (1, 5)
5           (5, 6)
6           (2, 1, 3)
7           (2, 1, 4)
8           (2, 1, 5)
9           (3, 1, 4)
10          (3, 1, 5)
11          (4, 1, 5)
12          (1, 5, 6)
13          (2, 1, 5, 6)
14          (3, 1, 5, 6)
15          (4, 1, 5, 6)
Changes in internal coordinates (Delta q)
**Distances given in Angstroms, angles given in degrees**
DOF          moh-xF-1.5  moh-xF-1.6  moh-xF-1.7  moh-xF-1.8  moh-xF-1.9 
1             0.00344066  0.00145368  0.00007444 -0.00086285 -0.00148699
2             0.00581611  0.00238213  0.00003419 -0.00164936 -0.00284176
3             0.00581624  0.00238226  0.00003432 -0.00164924 -0.00284163
4            -0.19999997 -0.10000005  0.00000000  0.10000005  0.19999997
5            -0.00440753 -0.00197203 -0.00007898  0.00137836  0.00247316
 6           -3.17024596 -1.50045596 -0.01658370  1.28593338  2.41856999
 7           -3.17024596 -1.50048328 -0.01661102  1.28590605  2.41859731
 8            3.54399392  1.71298412  0.00972619 -1.61771664 -3.18480793
 9           -3.46085685 -1.58785506  0.00565540  1.35065625  2.48976788
 10           3.70390230  1.82109236  0.01131079 -1.70593537 -3.34610967
 11           3.70406623  1.82125628  0.01147472 -1.70582608 -3.34591843
 12           5.12540127  2.34565089 -0.03152815 -2.03618867 -3.75526533
 13           0.00159690  0.00162422 -0.00051909  0.00189743  0.00249848
 14          -0.18384137 -0.11689186 -0.01020430  0.10518491  0.22187186
 15           0.18059020  0.11359971  0.00917977 -0.10898250 -0.22689888

***********************
**  Energy Analysis  **
***********************
Overall Structural Energies
Deformation        ΔE          %Error          Error
moh-xF-1.5      4.872230E-03    -125.08%    2.429758E-02
moh-xF-1.6      1.211641E-03    -110.17%    1.312975E-02
moh-xF-1.7      5.199716E-08      87.63%    2.428396E-08
moh-xF-1.8      1.211504E-03     -91.53%   -1.308654E-02
moh-xF-1.9      4.861785E-03     -83.54%   -2.467988E-02
Energy per DOF (RIC)
DOF            moh-xF-1.5      moh-xF-1.6      moh-xF-1.7      moh-xF-1.8      moh-xF-1.9   
1               7.875117E-06    1.405758E-06    3.686030E-09    4.952678E-07    1.470916E-06
2               2.204327E-05    3.697797E-06    7.617836E-10    1.772734E-06    5.262403E-06
3               2.204354E-05    3.698072E-06    7.673919E-10    1.772407E-06    5.261770E-06
4               6.877826E-03    1.719459E-03    0.000000E+00    1.719459E-03    6.877826E-03
5               1.733402E-05    3.470051E-06    5.565943E-09    1.695247E-06    5.457742E-06
6               1.001239E-04    2.242841E-05    2.739774E-09    1.647361E-05    5.827325E-05
7               1.001235E-04    2.242912E-05    2.748797E-09    1.647284E-05    5.827431E-05
8               2.398502E-04    5.603520E-05    1.806507E-09    4.997573E-05    1.936960E-04
9               1.186634E-04    2.497879E-05    3.168661E-10    1.807338E-05    6.141400E-05
10              2.551250E-04    6.167339E-05    2.379140E-09    5.412016E-05    2.082161E-04
11              2.551396E-04    6.168259E-05    2.448525E-09    5.411155E-05    2.081858E-04
12              5.988805E-04    1.254328E-04    2.266113E-08    9.451930E-05    3.214887E-04
13              7.485270E-12    7.743587E-12    7.909444E-13    1.056776E-11    1.832340E-11
14              1.063089E-07    4.297855E-08    3.275291E-10    3.480088E-08    1.548416E-07
15              1.025832E-07    4.059217E-08    2.650646E-10    3.735952E-08    1.619394E-07